Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM436277
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM436277 |
| SMILES |
CCC(=COCCN)CO
|
| InChIKey |
ZQBQKFBTAZYRAO-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201576
Similarity: 0.8191
Similarity to MM201576
| Tanimoto metric | 0.8191 |
|---|---|
| Cosine metric | 0.9051 |
| Dice metric | 0.9006 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294799
Similarity: 0.7748
Similarity to MM294799
| Tanimoto metric | 0.7748 |
|---|---|
| Cosine metric | 0.874 |
| Dice metric | 0.8731 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM436271
Similarity: 0.7404
Similarity to MM436271
| Tanimoto metric | 0.7404 |
|---|---|
| Cosine metric | 0.8515 |
| Dice metric | 0.8508 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+585 more
